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CHEBI:138634 - 3-methylnonanoyl-CoA(4−)

ChEBI IDCHEBI:138634
ChEBI Name3-methylnonanoyl-CoA(4−)
Stars
ASCII Name3-methylnonanoyl-CoA(4-)
DefinitionA medium chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-methylnonanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2021
Submitterlaimo
DownloadsMolfile
FormulaC31H50N7O17P3S
Net Charge-4
Average Mass917.762
Monoisotopic Mass917.22187
SMILESCCCCCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C31H54N7O17P3S/c1-5-6-7-8-9-19(2)14-22(40)59-13-12-33-21(39)10-11-34-29(43)26(42)31(3,4)16-52-58(49,50)55-57(47,48)51-15-20-25(54-56(44,45)46)24(41)30(53-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,41-42H,5-16H2,1-4H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t19?,20-,24-,25-,26+,30-/m1/s1
InChIKeyKWEZYLNBQQYXLW-OUDFDEKCSA-J
ChEBI Ontology
Outgoing Relation(s)
3-methylnonanoyl-CoA(4−) (CHEBI:138634) is a 3-methyl fatty acyl-CoA(4−) (CHEBI:83968)
3-methylnonanoyl-CoA(4−) (CHEBI:138634) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
3-methylnonanoyl-CoA(4−) (CHEBI:138634) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
3-methylnonanoyl-CoA(4−) (CHEBI:138634) is conjugate base of 3-methylnonanoyl-CoA (CHEBI:139372)
Incoming Relation(s)
2-hydroxy-3-methylnonanoyl-CoA(4−) (CHEBI:138633) has functional parent 3-methylnonanoyl-CoA(4−) (CHEBI:138634)
3-methylnonanoyl-CoA (CHEBI:139372) is conjugate acid of 3-methylnonanoyl-CoA(4−) (CHEBI:138634)
Synonym  Source
3-methylnonanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-methylnonanoyl-CoAUniProt
Citations